USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 GLN : amide:sc= 1.1! C(o=2.1!,f=-3!) USER MOD Set 1.2: A 92 GLN : amide:sc= 0.981 K(o=2.1,f=-5) USER MOD Set 2.1: A 32 SER OG : rot 38:sc= 1.3 USER MOD Set 2.2: A 51 TYR OH : rot -50:sc= 0.566 USER MOD Set 2.3: A 55 GLN : amide:sc= 0.971 K(o=2.8,f=0.94) USER MOD Set 3.1: A 41 THR OG1 : rot -44:sc= 1.61 USER MOD Set 3.2: A 78 LYS NZ :NH3+ 134:sc= 0.904 (180deg=0) USER MOD Set 4.1: A 21 TYR OH : rot 180:sc= 0.953 USER MOD Set 4.2: A 37 LYS NZ :NH3+ -163:sc= 1.36 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= 1.24 (180deg=0.0739) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= 1.3 (180deg=0.505) USER MOD Single : A 31 SER OG : rot -45:sc= 0.879 USER MOD Single : A 35 HIS : no HE2:sc= -0.458 K(o=-0.46,f=-2.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -150:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.016) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -140:sc= 1.24 (180deg=-0.44) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= 1.25 (180deg=0.178) USER MOD Single : A 50 SER OG : rot 82:sc= 1.27 USER MOD Single : A 52 CYS SG : rot 74:sc= -0.618 USER MOD Single : A 53 GLN : amide:sc= 0.761 K(o=0.76,f=-0.43) USER MOD Single : A 59 MET CE :methyl -146:sc= 0 (180deg=-0.308) USER MOD Single : A 60 ASN : amide:sc= 0.214 K(o=0.21,f=-1.4!) USER MOD Single : A 61 SER OG : rot -58:sc= 0.456 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.369 K(o=0.37,f=-2!) USER MOD Single : A 75 HIS : no HD1:sc= 0.227 K(o=0.23,f=-3!) USER MOD Single : A 76 THR OG1 : rot 95:sc= 0.78 USER MOD Single : A 82 MET CE :methyl 152:sc= 0 (180deg=-0.683) USER MOD Single : A 91 TYR OH : rot -76:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 290 N TYR A 21 80.479 9.435 -11.116 1.00 0.00 N ATOM 291 CA TYR A 21 80.292 7.997 -11.308 1.00 0.00 C ATOM 292 C TYR A 21 79.138 7.472 -10.459 1.00 0.00 C ATOM 293 O TYR A 21 78.857 7.988 -9.374 1.00 0.00 O ATOM 294 CB TYR A 21 81.589 7.225 -11.004 1.00 0.00 C ATOM 295 CG TYR A 21 82.362 7.717 -9.793 1.00 0.00 C ATOM 296 CD1 TYR A 21 81.814 7.657 -8.517 1.00 0.00 C ATOM 297 CD2 TYR A 21 83.649 8.224 -9.927 1.00 0.00 C ATOM 298 CE1 TYR A 21 82.521 8.090 -7.414 1.00 0.00 C ATOM 299 CE2 TYR A 21 84.362 8.662 -8.827 1.00 0.00 C ATOM 300 CZ TYR A 21 83.794 8.592 -7.574 1.00 0.00 C ATOM 301 OH TYR A 21 84.502 9.019 -6.472 1.00 0.00 O ATOM 0 HA TYR A 21 80.039 7.834 -12.356 1.00 0.00 H new ATOM 0 HB2 TYR A 21 81.342 6.174 -10.855 1.00 0.00 H new ATOM 0 HB3 TYR A 21 82.239 7.279 -11.877 1.00 0.00 H new ATOM 0 HD1 TYR A 21 80.816 7.264 -8.386 1.00 0.00 H new ATOM 0 HD2 TYR A 21 84.100 8.277 -10.907 1.00 0.00 H new ATOM 0 HE1 TYR A 21 82.079 8.036 -6.430 1.00 0.00 H new ATOM 0 HE2 TYR A 21 85.360 9.057 -8.949 1.00 0.00 H new ATOM 0 HH TYR A 21 85.382 9.344 -6.755 1.00 0.00 H new ATOM 311 N ILE A 22 78.468 6.445 -10.965 1.00 0.00 N ATOM 312 CA ILE A 22 77.341 5.844 -10.265 1.00 0.00 C ATOM 313 C ILE A 22 77.826 4.902 -9.165 1.00 0.00 C ATOM 314 O ILE A 22 78.646 4.015 -9.406 1.00 0.00 O ATOM 315 CB ILE A 22 76.408 5.067 -11.225 1.00 0.00 C ATOM 316 CG1 ILE A 22 76.508 5.606 -12.662 1.00 0.00 C ATOM 317 CG2 ILE A 22 74.975 5.140 -10.728 1.00 0.00 C ATOM 318 CD1 ILE A 22 75.848 6.957 -12.867 1.00 0.00 C ATOM 0 H ILE A 22 78.687 6.010 -11.861 1.00 0.00 H new ATOM 0 HA ILE A 22 76.774 6.663 -9.823 1.00 0.00 H new ATOM 0 HB ILE A 22 76.727 4.025 -11.240 1.00 0.00 H new ATOM 0 HG12 ILE A 22 77.560 5.683 -12.937 1.00 0.00 H new ATOM 0 HG13 ILE A 22 76.053 4.885 -13.341 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.325 4.591 -11.409 1.00 0.00 H new ATOM 0 HG22 ILE A 22 74.912 4.700 -9.733 1.00 0.00 H new ATOM 0 HG23 ILE A 22 74.658 6.182 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 22 75.964 7.265 -13.906 1.00 0.00 H new ATOM 0 HD12 ILE A 22 74.787 6.884 -12.626 1.00 0.00 H new ATOM 0 HD13 ILE A 22 76.318 7.694 -12.216 1.00 0.00 H new ATOM 330 N LYS A 23 77.314 5.108 -7.956 1.00 0.00 N ATOM 331 CA LYS A 23 77.699 4.288 -6.807 1.00 0.00 C ATOM 332 C LYS A 23 77.058 2.900 -6.869 1.00 0.00 C ATOM 333 O LYS A 23 77.708 1.901 -6.558 1.00 0.00 O ATOM 334 CB LYS A 23 77.305 4.988 -5.499 1.00 0.00 C ATOM 335 CG LYS A 23 78.415 5.827 -4.870 1.00 0.00 C ATOM 336 CD LYS A 23 79.121 6.705 -5.897 1.00 0.00 C ATOM 337 CE LYS A 23 78.945 8.186 -5.592 1.00 0.00 C ATOM 338 NZ LYS A 23 78.557 8.968 -6.801 1.00 0.00 N ATOM 0 H LYS A 23 76.631 5.835 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 23 78.781 4.162 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 23 76.445 5.630 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 23 76.985 4.234 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 23 77.994 6.455 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 23 79.142 5.168 -4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 23 80.183 6.461 -5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 23 78.728 6.489 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 23 78.183 8.309 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 23 79.875 8.585 -5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 79.035 9.892 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 78.838 8.447 -7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 77.527 9.111 -6.806 1.00 0.00 H new ATOM 352 N LEU A 24 75.779 2.861 -7.269 1.00 0.00 N ATOM 353 CA LEU A 24 75.012 1.610 -7.387 1.00 0.00 C ATOM 354 C LEU A 24 74.714 0.997 -6.010 1.00 0.00 C ATOM 355 O LEU A 24 75.525 1.061 -5.088 1.00 0.00 O ATOM 356 CB LEU A 24 75.749 0.606 -8.292 1.00 0.00 C ATOM 357 CG LEU A 24 75.588 -0.871 -7.922 1.00 0.00 C ATOM 358 CD1 LEU A 24 74.647 -1.567 -8.892 1.00 0.00 C ATOM 359 CD2 LEU A 24 76.944 -1.563 -7.900 1.00 0.00 C ATOM 0 H LEU A 24 75.247 3.694 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 24 74.054 1.849 -7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 24 75.400 0.744 -9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 24 76.811 0.849 -8.282 1.00 0.00 H new ATOM 0 HG LEU A 24 75.154 -0.931 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 24 74.546 -2.616 -8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 24 73.669 -1.087 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 24 75.050 -1.499 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.813 -2.612 -7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 24 77.405 -1.492 -8.885 1.00 0.00 H new ATOM 0 HD23 LEU A 24 77.587 -1.081 -7.164 1.00 0.00 H new ATOM 371 N LYS A 25 73.529 0.414 -5.870 1.00 0.00 N ATOM 372 CA LYS A 25 73.133 -0.205 -4.610 1.00 0.00 C ATOM 373 C LYS A 25 72.549 -1.599 -4.832 1.00 0.00 C ATOM 374 O LYS A 25 71.555 -1.766 -5.538 1.00 0.00 O ATOM 375 CB LYS A 25 72.123 0.678 -3.873 1.00 0.00 C ATOM 376 CG LYS A 25 72.115 0.460 -2.367 1.00 0.00 C ATOM 377 CD LYS A 25 70.969 1.203 -1.701 1.00 0.00 C ATOM 378 CE LYS A 25 71.465 2.104 -0.580 1.00 0.00 C ATOM 379 NZ LYS A 25 70.513 2.146 0.565 1.00 0.00 N ATOM 0 H LYS A 25 72.829 0.357 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 25 74.028 -0.308 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 25 72.347 1.724 -4.080 1.00 0.00 H new ATOM 0 HB3 LYS A 25 71.125 0.482 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 25 72.032 -0.606 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 25 73.062 0.797 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 25 70.442 1.802 -2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 25 70.252 0.486 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 25 72.435 1.749 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 25 71.614 3.113 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 70.627 3.043 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 69.539 2.072 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 70.708 1.352 1.208 1.00 0.00 H new ATOM 393 N VAL A 26 73.182 -2.597 -4.228 1.00 0.00 N ATOM 394 CA VAL A 26 72.729 -3.982 -4.344 1.00 0.00 C ATOM 395 C VAL A 26 72.369 -4.543 -2.967 1.00 0.00 C ATOM 396 O VAL A 26 73.102 -4.337 -1.998 1.00 0.00 O ATOM 397 CB VAL A 26 73.800 -4.892 -4.992 1.00 0.00 C ATOM 398 CG1 VAL A 26 73.149 -6.079 -5.684 1.00 0.00 C ATOM 399 CG2 VAL A 26 74.666 -4.117 -5.978 1.00 0.00 C ATOM 0 H VAL A 26 74.014 -2.475 -3.650 1.00 0.00 H new ATOM 0 HA VAL A 26 71.849 -3.974 -4.987 1.00 0.00 H new ATOM 0 HB VAL A 26 74.445 -5.261 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 73.919 -6.706 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 26 72.586 -6.662 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 26 72.474 -5.722 -6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 26 75.408 -4.786 -6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 26 74.038 -3.706 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 26 75.172 -3.305 -5.457 1.00 0.00 H new ATOM 409 N ILE A 27 71.242 -5.244 -2.882 1.00 0.00 N ATOM 410 CA ILE A 27 70.803 -5.829 -1.615 1.00 0.00 C ATOM 411 C ILE A 27 71.159 -7.316 -1.550 1.00 0.00 C ATOM 412 O ILE A 27 70.590 -8.135 -2.275 1.00 0.00 O ATOM 413 CB ILE A 27 69.276 -5.657 -1.387 1.00 0.00 C ATOM 414 CG1 ILE A 27 68.892 -4.174 -1.274 1.00 0.00 C ATOM 415 CG2 ILE A 27 68.834 -6.407 -0.136 1.00 0.00 C ATOM 416 CD1 ILE A 27 67.405 -3.927 -1.418 1.00 0.00 C ATOM 0 H ILE A 27 70.618 -5.421 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 27 71.328 -5.291 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 27 68.763 -6.077 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 27 69.225 -3.792 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 27 69.423 -3.609 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 27 67.762 -6.275 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 27 69.057 -7.468 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 27 69.367 -6.015 0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 27 67.203 -2.860 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 27 67.071 -4.279 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 27 66.869 -4.465 -0.636 1.00 0.00 H new ATOM 428 N GLY A 28 72.116 -7.646 -0.687 1.00 0.00 N ATOM 429 CA GLY A 28 72.535 -9.031 -0.532 1.00 0.00 C ATOM 430 C GLY A 28 71.600 -9.837 0.356 1.00 0.00 C ATOM 431 O GLY A 28 70.675 -9.290 0.960 1.00 0.00 O ATOM 0 H GLY A 28 72.609 -6.981 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 28 72.590 -9.501 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 28 73.540 -9.056 -0.110 1.00 0.00 H new ATOM 435 N GLN A 29 71.860 -11.139 0.454 1.00 0.00 N ATOM 436 CA GLN A 29 71.037 -12.046 1.266 1.00 0.00 C ATOM 437 C GLN A 29 71.020 -11.638 2.743 1.00 0.00 C ATOM 438 O GLN A 29 70.003 -11.777 3.422 1.00 0.00 O ATOM 439 CB GLN A 29 71.544 -13.488 1.140 1.00 0.00 C ATOM 440 CG GLN A 29 72.161 -13.816 -0.214 1.00 0.00 C ATOM 441 CD GLN A 29 73.665 -13.627 -0.226 1.00 0.00 C ATOM 442 OE1 GLN A 29 74.166 -12.596 -0.662 1.00 0.00 O ATOM 443 NE2 GLN A 29 74.393 -14.616 0.264 1.00 0.00 N ATOM 0 H GLN A 29 72.639 -11.596 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 29 70.018 -11.980 0.885 1.00 0.00 H new ATOM 0 HB2 GLN A 29 72.285 -13.670 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 29 70.714 -14.171 1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 29 71.925 -14.847 -0.477 1.00 0.00 H new ATOM 0 HG3 GLN A 29 71.712 -13.181 -0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 29 73.938 -15.458 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 29 75.410 -14.537 0.289 1.00 0.00 H new ATOM 452 N ASP A 30 72.148 -11.134 3.236 1.00 0.00 N ATOM 453 CA ASP A 30 72.255 -10.713 4.632 1.00 0.00 C ATOM 454 C ASP A 30 72.021 -9.203 4.787 1.00 0.00 C ATOM 455 O ASP A 30 72.517 -8.591 5.732 1.00 0.00 O ATOM 456 CB ASP A 30 73.631 -11.091 5.188 1.00 0.00 C ATOM 457 CG ASP A 30 73.565 -11.582 6.623 1.00 0.00 C ATOM 458 OD1 ASP A 30 72.490 -12.069 7.035 1.00 0.00 O ATOM 459 OD2 ASP A 30 74.587 -11.484 7.331 1.00 0.00 O ATOM 0 H ASP A 30 73.001 -11.007 2.691 1.00 0.00 H new ATOM 0 HA ASP A 30 71.480 -11.230 5.198 1.00 0.00 H new ATOM 0 HB2 ASP A 30 74.071 -11.867 4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 30 74.291 -10.225 5.134 1.00 0.00 H new ATOM 464 N SER A 31 71.266 -8.618 3.849 1.00 0.00 N ATOM 465 CA SER A 31 70.952 -7.181 3.863 1.00 0.00 C ATOM 466 C SER A 31 72.218 -6.318 3.788 1.00 0.00 C ATOM 467 O SER A 31 72.280 -5.226 4.357 1.00 0.00 O ATOM 468 CB SER A 31 70.135 -6.818 5.112 1.00 0.00 C ATOM 469 OG SER A 31 69.756 -5.452 5.097 1.00 0.00 O ATOM 0 H SER A 31 70.857 -9.123 3.063 1.00 0.00 H new ATOM 0 HA SER A 31 70.356 -6.972 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.245 -7.445 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 31 70.722 -7.026 6.007 1.00 0.00 H new ATOM 0 HG SER A 31 70.523 -4.903 4.830 1.00 0.00 H new ATOM 475 N SER A 32 73.222 -6.809 3.067 1.00 0.00 N ATOM 476 CA SER A 32 74.485 -6.088 2.918 1.00 0.00 C ATOM 477 C SER A 32 74.451 -5.162 1.702 1.00 0.00 C ATOM 478 O SER A 32 74.406 -5.625 0.560 1.00 0.00 O ATOM 479 CB SER A 32 75.647 -7.077 2.785 1.00 0.00 C ATOM 480 OG SER A 32 75.542 -7.832 1.589 1.00 0.00 O ATOM 0 H SER A 32 73.187 -7.703 2.577 1.00 0.00 H new ATOM 0 HA SER A 32 74.631 -5.479 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 32 76.593 -6.535 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 32 75.656 -7.749 3.643 1.00 0.00 H new ATOM 0 HG SER A 32 75.208 -7.258 0.868 1.00 0.00 H new ATOM 486 N GLU A 33 74.475 -3.857 1.956 1.00 0.00 N ATOM 487 CA GLU A 33 74.450 -2.861 0.884 1.00 0.00 C ATOM 488 C GLU A 33 75.861 -2.584 0.359 1.00 0.00 C ATOM 489 O GLU A 33 76.680 -1.973 1.045 1.00 0.00 O ATOM 490 CB GLU A 33 73.818 -1.557 1.382 1.00 0.00 C ATOM 491 CG GLU A 33 72.391 -1.720 1.882 1.00 0.00 C ATOM 492 CD GLU A 33 71.983 -0.628 2.852 1.00 0.00 C ATOM 493 OE1 GLU A 33 72.327 -0.734 4.047 1.00 0.00 O ATOM 494 OE2 GLU A 33 71.319 0.340 2.412 1.00 0.00 O ATOM 0 H GLU A 33 74.512 -3.462 2.896 1.00 0.00 H new ATOM 0 HA GLU A 33 73.849 -3.262 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 33 74.431 -1.151 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 33 73.829 -0.827 0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 33 71.710 -1.718 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 33 72.289 -2.690 2.369 1.00 0.00 H new ATOM 501 N ILE A 34 76.135 -3.032 -0.862 1.00 0.00 N ATOM 502 CA ILE A 34 77.452 -2.835 -1.469 1.00 0.00 C ATOM 503 C ILE A 34 77.442 -1.691 -2.486 1.00 0.00 C ATOM 504 O ILE A 34 76.593 -1.645 -3.378 1.00 0.00 O ATOM 505 CB ILE A 34 77.952 -4.128 -2.161 1.00 0.00 C ATOM 506 CG1 ILE A 34 77.837 -5.329 -1.211 1.00 0.00 C ATOM 507 CG2 ILE A 34 79.389 -3.963 -2.643 1.00 0.00 C ATOM 508 CD1 ILE A 34 78.744 -5.244 0.001 1.00 0.00 C ATOM 0 H ILE A 34 75.468 -3.532 -1.450 1.00 0.00 H new ATOM 0 HA ILE A 34 78.132 -2.577 -0.658 1.00 0.00 H new ATOM 0 HB ILE A 34 77.320 -4.314 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 34 76.804 -5.415 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 34 78.069 -6.240 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 34 79.719 -4.883 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 34 79.441 -3.140 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 34 80.036 -3.747 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 34 78.604 -6.128 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 34 79.783 -5.190 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 34 78.498 -4.353 0.578 1.00 0.00 H new ATOM 520 N HIS A 35 78.389 -0.766 -2.336 1.00 0.00 N ATOM 521 CA HIS A 35 78.513 0.382 -3.239 1.00 0.00 C ATOM 522 C HIS A 35 79.877 0.369 -3.931 1.00 0.00 C ATOM 523 O HIS A 35 80.871 -0.056 -3.342 1.00 0.00 O ATOM 524 CB HIS A 35 78.342 1.698 -2.472 1.00 0.00 C ATOM 525 CG HIS A 35 77.033 1.824 -1.750 1.00 0.00 C ATOM 526 ND1 HIS A 35 76.866 1.473 -0.426 1.00 0.00 N ATOM 527 CD2 HIS A 35 75.826 2.271 -2.170 1.00 0.00 C ATOM 528 CE1 HIS A 35 75.617 1.698 -0.063 1.00 0.00 C ATOM 529 NE2 HIS A 35 74.965 2.183 -1.101 1.00 0.00 N ATOM 0 H HIS A 35 79.087 -0.788 -1.593 1.00 0.00 H new ATOM 0 HA HIS A 35 77.726 0.306 -3.990 1.00 0.00 H new ATOM 0 HB2 HIS A 35 79.153 1.792 -1.750 1.00 0.00 H new ATOM 0 HB3 HIS A 35 78.440 2.528 -3.171 1.00 0.00 H new ATOM 0 HD1 HIS A 35 77.596 1.097 0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 35 75.584 2.630 -3.160 1.00 0.00 H new ATOM 0 HE1 HIS A 35 75.201 1.516 0.917 1.00 0.00 H new ATOM 537 N PHE A 36 79.925 0.843 -5.173 1.00 0.00 N ATOM 538 CA PHE A 36 81.179 0.869 -5.929 1.00 0.00 C ATOM 539 C PHE A 36 81.313 2.148 -6.761 1.00 0.00 C ATOM 540 O PHE A 36 80.548 3.095 -6.593 1.00 0.00 O ATOM 541 CB PHE A 36 81.268 -0.359 -6.841 1.00 0.00 C ATOM 542 CG PHE A 36 82.166 -1.440 -6.309 1.00 0.00 C ATOM 543 CD1 PHE A 36 81.635 -2.529 -5.638 1.00 0.00 C ATOM 544 CD2 PHE A 36 83.538 -1.365 -6.482 1.00 0.00 C ATOM 545 CE1 PHE A 36 82.458 -3.524 -5.146 1.00 0.00 C ATOM 546 CE2 PHE A 36 84.366 -2.356 -5.994 1.00 0.00 C ATOM 547 CZ PHE A 36 83.825 -3.439 -5.325 1.00 0.00 C ATOM 0 H PHE A 36 79.118 1.212 -5.676 1.00 0.00 H new ATOM 0 HA PHE A 36 81.999 0.851 -5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 36 80.268 -0.767 -6.985 1.00 0.00 H new ATOM 0 HB3 PHE A 36 81.629 -0.048 -7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 36 80.567 -2.601 -5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 36 83.965 -0.522 -7.005 1.00 0.00 H new ATOM 0 HE1 PHE A 36 82.033 -4.367 -4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 36 85.435 -2.286 -6.134 1.00 0.00 H new ATOM 0 HZ PHE A 36 84.470 -4.217 -4.943 1.00 0.00 H new ATOM 557 N LYS A 37 82.304 2.170 -7.647 1.00 0.00 N ATOM 558 CA LYS A 37 82.544 3.320 -8.519 1.00 0.00 C ATOM 559 C LYS A 37 82.587 2.873 -9.981 1.00 0.00 C ATOM 560 O LYS A 37 83.600 2.360 -10.454 1.00 0.00 O ATOM 561 CB LYS A 37 83.859 4.015 -8.145 1.00 0.00 C ATOM 562 CG LYS A 37 83.843 4.657 -6.767 1.00 0.00 C ATOM 563 CD LYS A 37 85.176 5.316 -6.444 1.00 0.00 C ATOM 564 CE LYS A 37 85.245 5.761 -4.989 1.00 0.00 C ATOM 565 NZ LYS A 37 84.282 6.857 -4.693 1.00 0.00 N ATOM 0 H LYS A 37 82.959 1.400 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 37 81.726 4.029 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 37 84.669 3.287 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 37 84.079 4.780 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 37 83.047 5.401 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 37 83.618 3.901 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 37 85.987 4.617 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 37 85.324 6.177 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 37 85.037 4.911 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 37 86.257 6.096 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 84.549 7.322 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 84.300 7.553 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 83.324 6.463 -4.604 1.00 0.00 H new ATOM 579 N VAL A 38 81.480 3.064 -10.695 1.00 0.00 N ATOM 580 CA VAL A 38 81.396 2.653 -12.096 1.00 0.00 C ATOM 581 C VAL A 38 80.489 3.594 -12.909 1.00 0.00 C ATOM 582 O VAL A 38 79.797 4.441 -12.348 1.00 0.00 O ATOM 583 CB VAL A 38 80.878 1.194 -12.188 1.00 0.00 C ATOM 584 CG1 VAL A 38 79.364 1.139 -12.040 1.00 0.00 C ATOM 585 CG2 VAL A 38 81.322 0.524 -13.483 1.00 0.00 C ATOM 0 H VAL A 38 80.632 3.498 -10.330 1.00 0.00 H new ATOM 0 HA VAL A 38 82.397 2.709 -12.524 1.00 0.00 H new ATOM 0 HB VAL A 38 81.319 0.639 -11.360 1.00 0.00 H new ATOM 0 HG11 VAL A 38 79.029 0.104 -12.109 1.00 0.00 H new ATOM 0 HG12 VAL A 38 79.078 1.550 -11.072 1.00 0.00 H new ATOM 0 HG13 VAL A 38 78.899 1.724 -12.834 1.00 0.00 H new ATOM 0 HG21 VAL A 38 80.941 -0.497 -13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 38 80.932 1.082 -14.334 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.411 0.507 -13.529 1.00 0.00 H new ATOM 595 N LYS A 39 80.511 3.452 -14.234 1.00 0.00 N ATOM 596 CA LYS A 39 79.684 4.281 -15.106 1.00 0.00 C ATOM 597 C LYS A 39 78.336 3.608 -15.385 1.00 0.00 C ATOM 598 O LYS A 39 78.145 2.427 -15.099 1.00 0.00 O ATOM 599 CB LYS A 39 80.412 4.565 -16.421 1.00 0.00 C ATOM 600 CG LYS A 39 80.657 6.045 -16.673 1.00 0.00 C ATOM 601 CD LYS A 39 81.789 6.259 -17.666 1.00 0.00 C ATOM 602 CE LYS A 39 81.869 7.710 -18.112 1.00 0.00 C ATOM 603 NZ LYS A 39 83.134 7.998 -18.845 1.00 0.00 N ATOM 0 H LYS A 39 81.092 2.772 -14.725 1.00 0.00 H new ATOM 0 HA LYS A 39 79.497 5.225 -14.595 1.00 0.00 H new ATOM 0 HB2 LYS A 39 81.368 4.042 -16.418 1.00 0.00 H new ATOM 0 HB3 LYS A 39 79.828 4.156 -17.246 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.746 6.507 -17.053 1.00 0.00 H new ATOM 0 HG3 LYS A 39 80.897 6.541 -15.733 1.00 0.00 H new ATOM 0 HD2 LYS A 39 82.735 5.964 -17.211 1.00 0.00 H new ATOM 0 HD3 LYS A 39 81.639 5.618 -18.534 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.018 7.940 -18.753 1.00 0.00 H new ATOM 0 HE3 LYS A 39 81.798 8.362 -17.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 83.149 8.998 -19.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 83.946 7.803 -18.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 83.191 7.395 -19.690 1.00 0.00 H new ATOM 617 N MET A 40 77.406 4.368 -15.957 1.00 0.00 N ATOM 618 CA MET A 40 76.070 3.851 -16.260 1.00 0.00 C ATOM 619 C MET A 40 76.043 3.038 -17.565 1.00 0.00 C ATOM 620 O MET A 40 75.210 2.144 -17.734 1.00 0.00 O ATOM 621 CB MET A 40 75.077 5.010 -16.356 1.00 0.00 C ATOM 622 CG MET A 40 73.770 4.751 -15.630 1.00 0.00 C ATOM 623 SD MET A 40 72.385 5.656 -16.363 1.00 0.00 S ATOM 624 CE MET A 40 70.960 4.797 -15.686 1.00 0.00 C ATOM 0 H MET A 40 77.550 5.343 -16.221 1.00 0.00 H new ATOM 0 HA MET A 40 75.787 3.180 -15.449 1.00 0.00 H new ATOM 0 HB2 MET A 40 75.539 5.908 -15.946 1.00 0.00 H new ATOM 0 HB3 MET A 40 74.866 5.211 -17.406 1.00 0.00 H new ATOM 0 HG2 MET A 40 73.553 3.683 -15.647 1.00 0.00 H new ATOM 0 HG3 MET A 40 73.875 5.038 -14.584 1.00 0.00 H new ATOM 0 HE1 MET A 40 70.046 5.258 -16.060 1.00 0.00 H new ATOM 0 HE2 MET A 40 70.989 3.750 -15.988 1.00 0.00 H new ATOM 0 HE3 MET A 40 70.979 4.861 -14.598 1.00 0.00 H new ATOM 634 N THR A 41 76.961 3.343 -18.484 1.00 0.00 N ATOM 635 CA THR A 41 77.018 2.642 -19.773 1.00 0.00 C ATOM 636 C THR A 41 77.925 1.406 -19.725 1.00 0.00 C ATOM 637 O THR A 41 78.187 0.780 -20.756 1.00 0.00 O ATOM 638 CB THR A 41 77.490 3.575 -20.914 1.00 0.00 C ATOM 639 OG1 THR A 41 77.360 2.908 -22.175 1.00 0.00 O ATOM 640 CG2 THR A 41 78.938 4.008 -20.711 1.00 0.00 C ATOM 0 H THR A 41 77.671 4.065 -18.364 1.00 0.00 H new ATOM 0 HA THR A 41 75.998 2.316 -19.977 1.00 0.00 H new ATOM 0 HB THR A 41 76.861 4.465 -20.903 1.00 0.00 H new ATOM 0 HG1 THR A 41 77.698 1.991 -22.097 1.00 0.00 H new ATOM 0 HG21 THR A 41 79.240 4.662 -21.529 1.00 0.00 H new ATOM 0 HG22 THR A 41 79.029 4.543 -19.766 1.00 0.00 H new ATOM 0 HG23 THR A 41 79.582 3.129 -20.693 1.00 0.00 H new ATOM 648 N THR A 42 78.397 1.055 -18.533 1.00 0.00 N ATOM 649 CA THR A 42 79.271 -0.106 -18.364 1.00 0.00 C ATOM 650 C THR A 42 78.461 -1.403 -18.287 1.00 0.00 C ATOM 651 O THR A 42 77.368 -1.435 -17.719 1.00 0.00 O ATOM 652 CB THR A 42 80.142 0.024 -17.096 1.00 0.00 C ATOM 653 OG1 THR A 42 80.681 1.349 -17.007 1.00 0.00 O ATOM 654 CG2 THR A 42 81.281 -0.984 -17.104 1.00 0.00 C ATOM 0 H THR A 42 78.190 1.556 -17.669 1.00 0.00 H new ATOM 0 HA THR A 42 79.921 -0.141 -19.238 1.00 0.00 H new ATOM 0 HB THR A 42 79.508 -0.177 -16.232 1.00 0.00 H new ATOM 0 HG1 THR A 42 81.545 1.320 -16.545 1.00 0.00 H new ATOM 0 HG21 THR A 42 81.876 -0.868 -16.198 1.00 0.00 H new ATOM 0 HG22 THR A 42 80.873 -1.994 -17.143 1.00 0.00 H new ATOM 0 HG23 THR A 42 81.911 -0.814 -17.977 1.00 0.00 H new ATOM 662 N HIS A 43 79.005 -2.469 -18.869 1.00 0.00 N ATOM 663 CA HIS A 43 78.344 -3.775 -18.871 1.00 0.00 C ATOM 664 C HIS A 43 78.390 -4.423 -17.485 1.00 0.00 C ATOM 665 O HIS A 43 79.276 -4.128 -16.679 1.00 0.00 O ATOM 666 CB HIS A 43 79.012 -4.697 -19.892 1.00 0.00 C ATOM 667 CG HIS A 43 78.427 -4.599 -21.268 1.00 0.00 C ATOM 668 ND1 HIS A 43 79.188 -4.640 -22.414 1.00 0.00 N ATOM 669 CD2 HIS A 43 77.145 -4.462 -21.678 1.00 0.00 C ATOM 670 CE1 HIS A 43 78.403 -4.532 -23.472 1.00 0.00 C ATOM 671 NE2 HIS A 43 77.156 -4.424 -23.052 1.00 0.00 N ATOM 0 H HIS A 43 79.906 -2.455 -19.348 1.00 0.00 H new ATOM 0 HA HIS A 43 77.300 -3.623 -19.143 1.00 0.00 H new ATOM 0 HB2 HIS A 43 80.075 -4.460 -19.941 1.00 0.00 H new ATOM 0 HB3 HIS A 43 78.931 -5.727 -19.545 1.00 0.00 H new ATOM 0 HD2 HIS A 43 76.274 -4.395 -21.043 1.00 0.00 H new ATOM 0 HE1 HIS A 43 78.726 -4.532 -24.503 1.00 0.00 H new ATOM 0 HE2 HIS A 43 76.335 -4.328 -23.649 1.00 0.00 H new ATOM 679 N LEU A 44 77.443 -5.326 -17.218 1.00 0.00 N ATOM 680 CA LEU A 44 77.377 -6.011 -15.925 1.00 0.00 C ATOM 681 C LEU A 44 78.597 -6.918 -15.680 1.00 0.00 C ATOM 682 O LEU A 44 78.831 -7.346 -14.549 1.00 0.00 O ATOM 683 CB LEU A 44 76.075 -6.809 -15.812 1.00 0.00 C ATOM 684 CG LEU A 44 74.942 -6.127 -15.025 1.00 0.00 C ATOM 685 CD1 LEU A 44 75.209 -6.192 -13.533 1.00 0.00 C ATOM 686 CD2 LEU A 44 74.753 -4.679 -15.463 1.00 0.00 C ATOM 0 H LEU A 44 76.714 -5.599 -17.877 1.00 0.00 H new ATOM 0 HA LEU A 44 77.392 -5.245 -15.150 1.00 0.00 H new ATOM 0 HB2 LEU A 44 75.715 -7.026 -16.818 1.00 0.00 H new ATOM 0 HB3 LEU A 44 76.296 -7.766 -15.339 1.00 0.00 H new ATOM 0 HG LEU A 44 74.021 -6.669 -15.241 1.00 0.00 H new ATOM 0 HD11 LEU A 44 74.396 -5.704 -12.996 1.00 0.00 H new ATOM 0 HD12 LEU A 44 75.276 -7.234 -13.220 1.00 0.00 H new ATOM 0 HD13 LEU A 44 76.147 -5.685 -13.309 1.00 0.00 H new ATOM 0 HD21 LEU A 44 73.945 -4.227 -14.887 1.00 0.00 H new ATOM 0 HD22 LEU A 44 75.675 -4.124 -15.292 1.00 0.00 H new ATOM 0 HD23 LEU A 44 74.503 -4.649 -16.524 1.00 0.00 H new ATOM 698 N LYS A 45 79.372 -7.206 -16.740 1.00 0.00 N ATOM 699 CA LYS A 45 80.573 -8.045 -16.642 1.00 0.00 C ATOM 700 C LYS A 45 81.550 -7.527 -15.581 1.00 0.00 C ATOM 701 O LYS A 45 82.282 -8.303 -14.974 1.00 0.00 O ATOM 702 CB LYS A 45 81.294 -8.102 -17.994 1.00 0.00 C ATOM 703 CG LYS A 45 80.429 -8.602 -19.139 1.00 0.00 C ATOM 704 CD LYS A 45 80.897 -8.043 -20.473 1.00 0.00 C ATOM 705 CE LYS A 45 80.230 -8.752 -21.641 1.00 0.00 C ATOM 706 NZ LYS A 45 81.222 -9.438 -22.515 1.00 0.00 N ATOM 0 H LYS A 45 79.183 -6.865 -17.682 1.00 0.00 H new ATOM 0 HA LYS A 45 80.242 -9.041 -16.349 1.00 0.00 H new ATOM 0 HB2 LYS A 45 81.662 -7.106 -18.239 1.00 0.00 H new ATOM 0 HB3 LYS A 45 82.166 -8.750 -17.902 1.00 0.00 H new ATOM 0 HG2 LYS A 45 80.457 -9.691 -19.169 1.00 0.00 H new ATOM 0 HG3 LYS A 45 79.392 -8.314 -18.966 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.676 -6.977 -20.519 1.00 0.00 H new ATOM 0 HD3 LYS A 45 81.979 -8.148 -20.553 1.00 0.00 H new ATOM 0 HE2 LYS A 45 79.515 -9.482 -21.262 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.666 -8.029 -22.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 80.727 -9.909 -23.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 81.890 -8.739 -22.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 81.743 -10.146 -21.959 1.00 0.00 H new ATOM 720 N LYS A 46 81.568 -6.210 -15.376 1.00 0.00 N ATOM 721 CA LYS A 46 82.455 -5.602 -14.383 1.00 0.00 C ATOM 722 C LYS A 46 81.671 -5.118 -13.157 1.00 0.00 C ATOM 723 O LYS A 46 82.205 -5.061 -12.050 1.00 0.00 O ATOM 724 CB LYS A 46 83.224 -4.431 -15.003 1.00 0.00 C ATOM 725 CG LYS A 46 84.368 -4.865 -15.910 1.00 0.00 C ATOM 726 CD LYS A 46 85.515 -5.470 -15.115 1.00 0.00 C ATOM 727 CE LYS A 46 85.858 -6.867 -15.610 1.00 0.00 C ATOM 728 NZ LYS A 46 86.720 -7.603 -14.644 1.00 0.00 N ATOM 0 H LYS A 46 80.982 -5.546 -15.881 1.00 0.00 H new ATOM 0 HA LYS A 46 83.162 -6.365 -14.057 1.00 0.00 H new ATOM 0 HB2 LYS A 46 82.531 -3.815 -15.576 1.00 0.00 H new ATOM 0 HB3 LYS A 46 83.622 -3.805 -14.204 1.00 0.00 H new ATOM 0 HG2 LYS A 46 84.003 -5.593 -16.634 1.00 0.00 H new ATOM 0 HG3 LYS A 46 84.730 -4.007 -16.476 1.00 0.00 H new ATOM 0 HD2 LYS A 46 86.393 -4.829 -15.194 1.00 0.00 H new ATOM 0 HD3 LYS A 46 85.246 -5.512 -14.060 1.00 0.00 H new ATOM 0 HE2 LYS A 46 84.939 -7.429 -15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 46 86.368 -6.797 -16.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 87.442 -8.141 -15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 87.185 -6.925 -14.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 86.135 -8.258 -14.086 1.00 0.00 H new ATOM 742 N LEU A 47 80.400 -4.779 -13.366 1.00 0.00 N ATOM 743 CA LEU A 47 79.534 -4.294 -12.290 1.00 0.00 C ATOM 744 C LEU A 47 79.183 -5.405 -11.294 1.00 0.00 C ATOM 745 O LEU A 47 79.448 -5.288 -10.096 1.00 0.00 O ATOM 746 CB LEU A 47 78.247 -3.715 -12.882 1.00 0.00 C ATOM 747 CG LEU A 47 78.110 -2.194 -12.801 1.00 0.00 C ATOM 748 CD1 LEU A 47 77.962 -1.599 -14.194 1.00 0.00 C ATOM 749 CD2 LEU A 47 76.922 -1.815 -11.930 1.00 0.00 C ATOM 0 H LEU A 47 79.944 -4.832 -14.277 1.00 0.00 H new ATOM 0 HA LEU A 47 80.080 -3.520 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 47 78.183 -4.013 -13.929 1.00 0.00 H new ATOM 0 HB3 LEU A 47 77.397 -4.166 -12.370 1.00 0.00 H new ATOM 0 HG LEU A 47 79.014 -1.788 -12.348 1.00 0.00 H new ATOM 0 HD11 LEU A 47 77.866 -0.516 -14.119 1.00 0.00 H new ATOM 0 HD12 LEU A 47 78.841 -1.844 -14.790 1.00 0.00 H new ATOM 0 HD13 LEU A 47 77.073 -2.010 -14.673 1.00 0.00 H new ATOM 0 HD21 LEU A 47 76.838 -0.729 -11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 47 76.010 -2.231 -12.358 1.00 0.00 H new ATOM 0 HD23 LEU A 47 77.066 -2.212 -10.925 1.00 0.00 H new ATOM 761 N LYS A 48 78.601 -6.489 -11.802 1.00 0.00 N ATOM 762 CA LYS A 48 78.195 -7.620 -10.963 1.00 0.00 C ATOM 763 C LYS A 48 79.407 -8.448 -10.512 1.00 0.00 C ATOM 764 O LYS A 48 79.360 -9.121 -9.482 1.00 0.00 O ATOM 765 CB LYS A 48 77.161 -8.467 -11.730 1.00 0.00 C ATOM 766 CG LYS A 48 77.408 -9.969 -11.746 1.00 0.00 C ATOM 767 CD LYS A 48 77.013 -10.570 -13.088 1.00 0.00 C ATOM 768 CE LYS A 48 76.143 -11.806 -12.913 1.00 0.00 C ATOM 769 NZ LYS A 48 76.440 -12.841 -13.943 1.00 0.00 N ATOM 0 H LYS A 48 78.398 -6.610 -12.794 1.00 0.00 H new ATOM 0 HA LYS A 48 77.730 -7.247 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 48 76.178 -8.285 -11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 48 77.124 -8.114 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 48 78.461 -10.171 -11.548 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.837 -10.444 -10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 48 76.476 -9.826 -13.676 1.00 0.00 H new ATOM 0 HD3 LYS A 48 77.910 -10.832 -13.648 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.303 -12.225 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 48 75.092 -11.523 -12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 75.550 -13.182 -14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 77.035 -12.428 -14.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.942 -13.637 -13.501 1.00 0.00 H new ATOM 783 N GLU A 49 80.505 -8.358 -11.262 1.00 0.00 N ATOM 784 CA GLU A 49 81.727 -9.090 -10.927 1.00 0.00 C ATOM 785 C GLU A 49 82.450 -8.443 -9.743 1.00 0.00 C ATOM 786 O GLU A 49 83.154 -9.116 -8.989 1.00 0.00 O ATOM 787 CB GLU A 49 82.661 -9.141 -12.137 1.00 0.00 C ATOM 788 CG GLU A 49 83.717 -10.232 -12.060 1.00 0.00 C ATOM 789 CD GLU A 49 84.419 -10.459 -13.387 1.00 0.00 C ATOM 790 OE1 GLU A 49 83.943 -11.305 -14.173 1.00 0.00 O ATOM 791 OE2 GLU A 49 85.448 -9.790 -13.639 1.00 0.00 O ATOM 0 H GLU A 49 80.574 -7.787 -12.104 1.00 0.00 H new ATOM 0 HA GLU A 49 81.444 -10.104 -10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.064 -9.290 -13.037 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.158 -8.176 -12.240 1.00 0.00 H new ATOM 0 HG2 GLU A 49 84.455 -9.965 -11.304 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.250 -11.162 -11.736 1.00 0.00 H new ATOM 798 N SER A 50 82.261 -7.137 -9.577 1.00 0.00 N ATOM 799 CA SER A 50 82.897 -6.399 -8.485 1.00 0.00 C ATOM 800 C SER A 50 82.197 -6.684 -7.161 1.00 0.00 C ATOM 801 O SER A 50 82.841 -6.824 -6.121 1.00 0.00 O ATOM 802 CB SER A 50 82.877 -4.894 -8.770 1.00 0.00 C ATOM 803 OG SER A 50 83.665 -4.576 -9.906 1.00 0.00 O ATOM 0 H SER A 50 81.673 -6.566 -10.184 1.00 0.00 H new ATOM 0 HA SER A 50 83.932 -6.732 -8.412 1.00 0.00 H new ATOM 0 HB2 SER A 50 81.850 -4.566 -8.933 1.00 0.00 H new ATOM 0 HB3 SER A 50 83.251 -4.352 -7.902 1.00 0.00 H new ATOM 0 HG SER A 50 83.143 -4.733 -10.720 1.00 0.00 H new ATOM 809 N TYR A 51 80.870 -6.770 -7.214 1.00 0.00 N ATOM 810 CA TYR A 51 80.061 -7.051 -6.023 1.00 0.00 C ATOM 811 C TYR A 51 80.426 -8.407 -5.388 1.00 0.00 C ATOM 812 O TYR A 51 80.562 -8.507 -4.168 1.00 0.00 O ATOM 813 CB TYR A 51 78.558 -7.010 -6.364 1.00 0.00 C ATOM 814 CG TYR A 51 77.718 -7.926 -5.503 1.00 0.00 C ATOM 815 CD1 TYR A 51 77.423 -7.595 -4.189 1.00 0.00 C ATOM 816 CD2 TYR A 51 77.242 -9.133 -5.998 1.00 0.00 C ATOM 817 CE1 TYR A 51 76.682 -8.441 -3.390 1.00 0.00 C ATOM 818 CE2 TYR A 51 76.495 -9.983 -5.207 1.00 0.00 C ATOM 819 CZ TYR A 51 76.219 -9.631 -3.902 1.00 0.00 C ATOM 820 OH TYR A 51 75.489 -10.477 -3.100 1.00 0.00 O ATOM 0 H TYR A 51 80.328 -6.649 -8.070 1.00 0.00 H new ATOM 0 HA TYR A 51 80.280 -6.272 -5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 51 78.196 -5.988 -6.253 1.00 0.00 H new ATOM 0 HB3 TYR A 51 78.424 -7.284 -7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 51 77.779 -6.659 -3.784 1.00 0.00 H new ATOM 0 HD2 TYR A 51 77.460 -9.411 -7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 51 76.466 -8.170 -2.367 1.00 0.00 H new ATOM 0 HE2 TYR A 51 76.129 -10.917 -5.607 1.00 0.00 H new ATOM 0 HH TYR A 51 75.962 -10.614 -2.253 1.00 0.00 H new ATOM 830 N CYS A 52 80.607 -9.439 -6.217 1.00 0.00 N ATOM 831 CA CYS A 52 80.931 -10.779 -5.709 1.00 0.00 C ATOM 832 C CYS A 52 82.369 -10.830 -5.210 1.00 0.00 C ATOM 833 O CYS A 52 82.707 -11.606 -4.314 1.00 0.00 O ATOM 834 CB CYS A 52 80.717 -11.846 -6.791 1.00 0.00 C ATOM 835 SG CYS A 52 79.104 -11.756 -7.605 1.00 0.00 S ATOM 0 H CYS A 52 80.536 -9.376 -7.233 1.00 0.00 H new ATOM 0 HA CYS A 52 80.259 -10.990 -4.877 1.00 0.00 H new ATOM 0 HB2 CYS A 52 81.499 -11.747 -7.544 1.00 0.00 H new ATOM 0 HB3 CYS A 52 80.831 -12.832 -6.342 1.00 0.00 H new ATOM 0 HG CYS A 52 79.082 -10.738 -8.413 1.00 0.00 H new ATOM 841 N GLN A 53 83.203 -9.981 -5.796 1.00 0.00 N ATOM 842 CA GLN A 53 84.612 -9.891 -5.438 1.00 0.00 C ATOM 843 C GLN A 53 84.791 -9.284 -4.048 1.00 0.00 C ATOM 844 O GLN A 53 85.659 -9.703 -3.283 1.00 0.00 O ATOM 845 CB GLN A 53 85.338 -9.039 -6.472 1.00 0.00 C ATOM 846 CG GLN A 53 86.334 -9.809 -7.310 1.00 0.00 C ATOM 847 CD GLN A 53 85.856 -11.196 -7.701 1.00 0.00 C ATOM 848 OE1 GLN A 53 86.460 -12.199 -7.333 1.00 0.00 O ATOM 849 NE2 GLN A 53 84.769 -11.266 -8.453 1.00 0.00 N ATOM 0 H GLN A 53 82.921 -9.335 -6.533 1.00 0.00 H new ATOM 0 HA GLN A 53 85.032 -10.897 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 53 84.602 -8.579 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 53 85.858 -8.229 -5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 53 86.552 -9.241 -8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 53 87.269 -9.899 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 53 84.292 -10.412 -8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 53 84.408 -12.174 -8.745 1.00 0.00 H new ATOM 858 N ARG A 54 83.967 -8.289 -3.737 1.00 0.00 N ATOM 859 CA ARG A 54 84.022 -7.615 -2.442 1.00 0.00 C ATOM 860 C ARG A 54 83.619 -8.558 -1.300 1.00 0.00 C ATOM 861 O ARG A 54 84.283 -8.608 -0.266 1.00 0.00 O ATOM 862 CB ARG A 54 83.109 -6.385 -2.452 1.00 0.00 C ATOM 863 CG ARG A 54 83.439 -5.369 -1.371 1.00 0.00 C ATOM 864 CD ARG A 54 84.607 -4.482 -1.775 1.00 0.00 C ATOM 865 NE ARG A 54 85.061 -3.639 -0.672 1.00 0.00 N ATOM 866 CZ ARG A 54 86.160 -3.865 0.031 1.00 0.00 C ATOM 867 NH1 ARG A 54 86.921 -4.900 -0.227 1.00 0.00 N ATOM 868 NH2 ARG A 54 86.495 -3.053 1.003 1.00 0.00 N ATOM 0 H ARG A 54 83.250 -7.929 -4.366 1.00 0.00 H new ATOM 0 HA ARG A 54 85.052 -7.302 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 54 83.178 -5.901 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 54 82.076 -6.710 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 54 82.564 -4.751 -1.172 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.680 -5.889 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 54 85.433 -5.105 -2.119 1.00 0.00 H new ATOM 0 HD3 ARG A 54 84.311 -3.853 -2.614 1.00 0.00 H new ATOM 0 HE ARG A 54 84.496 -2.825 -0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 54 86.669 -5.544 -0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.765 -5.062 0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 54 85.909 -2.246 1.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.342 -3.227 1.544 1.00 0.00 H new ATOM 882 N GLN A 55 82.523 -9.293 -1.493 1.00 0.00 N ATOM 883 CA GLN A 55 82.046 -10.239 -0.478 1.00 0.00 C ATOM 884 C GLN A 55 82.941 -11.481 -0.397 1.00 0.00 C ATOM 885 O GLN A 55 83.259 -11.955 0.693 1.00 0.00 O ATOM 886 CB GLN A 55 80.600 -10.669 -0.765 1.00 0.00 C ATOM 887 CG GLN A 55 79.672 -9.531 -1.173 1.00 0.00 C ATOM 888 CD GLN A 55 78.301 -9.636 -0.531 1.00 0.00 C ATOM 889 OE1 GLN A 55 77.452 -10.412 -0.967 1.00 0.00 O ATOM 890 NE2 GLN A 55 78.074 -8.854 0.512 1.00 0.00 N ATOM 0 H GLN A 55 81.951 -9.254 -2.336 1.00 0.00 H new ATOM 0 HA GLN A 55 82.084 -9.722 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 55 80.607 -11.417 -1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 55 80.194 -11.151 0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 55 80.127 -8.580 -0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 55 79.562 -9.528 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 55 78.803 -8.223 0.845 1.00 0.00 H new ATOM 0 HE22 GLN A 55 77.170 -8.882 0.983 1.00 0.00 H new ATOM 899 N GLY A 56 83.340 -12.009 -1.553 1.00 0.00 N ATOM 900 CA GLY A 56 84.190 -13.188 -1.581 1.00 0.00 C ATOM 901 C GLY A 56 83.417 -14.462 -1.878 1.00 0.00 C ATOM 902 O GLY A 56 83.659 -15.502 -1.265 1.00 0.00 O ATOM 0 H GLY A 56 83.089 -11.641 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 56 84.965 -13.054 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 56 84.695 -13.290 -0.620 1.00 0.00 H new ATOM 906 N VAL A 57 82.487 -14.385 -2.827 1.00 0.00 N ATOM 907 CA VAL A 57 81.670 -15.539 -3.201 1.00 0.00 C ATOM 908 C VAL A 57 81.599 -15.697 -4.723 1.00 0.00 C ATOM 909 O VAL A 57 81.601 -14.706 -5.455 1.00 0.00 O ATOM 910 CB VAL A 57 80.230 -15.437 -2.641 1.00 0.00 C ATOM 911 CG1 VAL A 57 80.096 -16.251 -1.361 1.00 0.00 C ATOM 912 CG2 VAL A 57 79.831 -13.987 -2.399 1.00 0.00 C ATOM 0 H VAL A 57 82.280 -13.535 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 57 82.155 -16.412 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 57 79.551 -15.849 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 57 79.078 -16.168 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 57 80.321 -17.297 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 57 80.793 -15.872 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 57 78.815 -13.950 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 57 80.515 -13.537 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 57 79.877 -13.435 -3.338 1.00 0.00 H new ATOM 922 N PRO A 58 81.544 -16.949 -5.222 1.00 0.00 N ATOM 923 CA PRO A 58 81.467 -17.227 -6.664 1.00 0.00 C ATOM 924 C PRO A 58 80.161 -16.738 -7.290 1.00 0.00 C ATOM 925 O PRO A 58 79.103 -16.771 -6.657 1.00 0.00 O ATOM 926 CB PRO A 58 81.547 -18.758 -6.752 1.00 0.00 C ATOM 927 CG PRO A 58 82.051 -19.209 -5.423 1.00 0.00 C ATOM 928 CD PRO A 58 81.569 -18.192 -4.431 1.00 0.00 C ATOM 0 HA PRO A 58 82.259 -16.711 -7.207 1.00 0.00 H new ATOM 0 HB2 PRO A 58 80.570 -19.190 -6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 58 82.218 -19.070 -7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 58 81.673 -20.202 -5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 58 83.139 -19.272 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 58 80.582 -18.443 -4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 58 82.239 -18.113 -3.575 1.00 0.00 H new ATOM 936 N MET A 59 80.238 -16.314 -8.552 1.00 0.00 N ATOM 937 CA MET A 59 79.069 -15.812 -9.279 1.00 0.00 C ATOM 938 C MET A 59 78.057 -16.925 -9.579 1.00 0.00 C ATOM 939 O MET A 59 76.920 -16.658 -9.955 1.00 0.00 O ATOM 940 CB MET A 59 79.508 -15.148 -10.586 1.00 0.00 C ATOM 941 CG MET A 59 79.236 -13.654 -10.634 1.00 0.00 C ATOM 942 SD MET A 59 80.708 -12.692 -11.034 1.00 0.00 S ATOM 943 CE MET A 59 80.535 -12.520 -12.808 1.00 0.00 C ATOM 0 H MET A 59 81.101 -16.308 -9.095 1.00 0.00 H new ATOM 0 HA MET A 59 78.578 -15.079 -8.639 1.00 0.00 H new ATOM 0 HB2 MET A 59 80.575 -15.319 -10.729 1.00 0.00 H new ATOM 0 HB3 MET A 59 78.994 -15.629 -11.418 1.00 0.00 H new ATOM 0 HG2 MET A 59 78.463 -13.453 -11.376 1.00 0.00 H new ATOM 0 HG3 MET A 59 78.845 -13.329 -9.670 1.00 0.00 H new ATOM 0 HE1 MET A 59 81.521 -12.524 -13.272 1.00 0.00 H new ATOM 0 HE2 MET A 59 79.947 -13.351 -13.198 1.00 0.00 H new ATOM 0 HE3 MET A 59 80.031 -11.580 -13.035 1.00 0.00 H new ATOM 953 N ASN A 60 78.482 -18.174 -9.415 1.00 0.00 N ATOM 954 CA ASN A 60 77.611 -19.322 -9.657 1.00 0.00 C ATOM 955 C ASN A 60 76.899 -19.759 -8.372 1.00 0.00 C ATOM 956 O ASN A 60 76.113 -20.705 -8.378 1.00 0.00 O ATOM 957 CB ASN A 60 78.416 -20.499 -10.225 1.00 0.00 C ATOM 958 CG ASN A 60 79.708 -20.063 -10.895 1.00 0.00 C ATOM 959 OD1 ASN A 60 80.680 -19.712 -10.231 1.00 0.00 O ATOM 960 ND2 ASN A 60 79.728 -20.085 -12.218 1.00 0.00 N ATOM 0 H ASN A 60 79.426 -18.418 -9.115 1.00 0.00 H new ATOM 0 HA ASN A 60 76.859 -19.017 -10.384 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.648 -21.196 -9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.802 -21.038 -10.947 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.570 -19.804 -12.720 1.00 0.00 H new ATOM 0 HD22 ASN A 60 78.901 -20.383 -12.736 1.00 0.00 H new ATOM 967 N SER A 61 77.176 -19.062 -7.271 1.00 0.00 N ATOM 968 CA SER A 61 76.563 -19.389 -5.983 1.00 0.00 C ATOM 969 C SER A 61 75.329 -18.526 -5.703 1.00 0.00 C ATOM 970 O SER A 61 74.364 -18.994 -5.096 1.00 0.00 O ATOM 971 CB SER A 61 77.583 -19.230 -4.851 1.00 0.00 C ATOM 972 OG SER A 61 77.860 -17.865 -4.588 1.00 0.00 O ATOM 0 H SER A 61 77.818 -18.270 -7.244 1.00 0.00 H new ATOM 0 HA SER A 61 76.238 -20.428 -6.032 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.202 -19.705 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.506 -19.745 -5.117 1.00 0.00 H new ATOM 0 HG SER A 61 78.188 -17.434 -5.405 1.00 0.00 H new ATOM 978 N LEU A 62 75.360 -17.272 -6.154 1.00 0.00 N ATOM 979 CA LEU A 62 74.237 -16.356 -5.948 1.00 0.00 C ATOM 980 C LEU A 62 73.814 -15.690 -7.258 1.00 0.00 C ATOM 981 O LEU A 62 74.648 -15.386 -8.111 1.00 0.00 O ATOM 982 CB LEU A 62 74.586 -15.276 -4.913 1.00 0.00 C ATOM 983 CG LEU A 62 76.074 -15.117 -4.587 1.00 0.00 C ATOM 984 CD1 LEU A 62 76.666 -13.932 -5.336 1.00 0.00 C ATOM 985 CD2 LEU A 62 76.272 -14.951 -3.087 1.00 0.00 C ATOM 0 H LEU A 62 76.147 -16.868 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 62 73.404 -16.951 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.209 -14.319 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.053 -15.500 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 62 76.594 -16.019 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.724 -13.837 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 76.556 -14.088 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 62 76.143 -13.020 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 62 77.334 -14.839 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 62 75.737 -14.065 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.887 -15.830 -2.570 1.00 0.00 H new ATOM 997 N ARG A 63 72.515 -15.462 -7.407 1.00 0.00 N ATOM 998 CA ARG A 63 71.975 -14.834 -8.612 1.00 0.00 C ATOM 999 C ARG A 63 71.286 -13.507 -8.284 1.00 0.00 C ATOM 1000 O ARG A 63 70.669 -13.359 -7.228 1.00 0.00 O ATOM 1001 CB ARG A 63 70.987 -15.774 -9.313 1.00 0.00 C ATOM 1002 CG ARG A 63 70.051 -16.507 -8.361 1.00 0.00 C ATOM 1003 CD ARG A 63 68.779 -16.957 -9.061 1.00 0.00 C ATOM 1004 NE ARG A 63 68.800 -18.386 -9.369 1.00 0.00 N ATOM 1005 CZ ARG A 63 68.125 -18.938 -10.364 1.00 0.00 C ATOM 1006 NH1 ARG A 63 67.370 -18.202 -11.145 1.00 0.00 N ATOM 1007 NH2 ARG A 63 68.205 -20.226 -10.578 1.00 0.00 N ATOM 0 H ARG A 63 71.812 -15.702 -6.708 1.00 0.00 H new ATOM 0 HA ARG A 63 72.811 -14.632 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 63 70.391 -15.197 -10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 63 71.547 -16.508 -9.892 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.563 -17.374 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 63 69.796 -15.854 -7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 63 67.919 -16.735 -8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.652 -16.389 -9.983 1.00 0.00 H new ATOM 0 HE ARG A 63 69.370 -18.994 -8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.300 -17.197 -10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 63 66.853 -18.635 -11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 63 68.789 -20.808 -9.977 1.00 0.00 H new ATOM 0 HH22 ARG A 63 67.683 -20.649 -11.346 1.00 0.00 H new ATOM 1021 N LEU A 64 71.393 -12.545 -9.197 1.00 0.00 N ATOM 1022 CA LEU A 64 70.780 -11.231 -9.003 1.00 0.00 C ATOM 1023 C LEU A 64 69.590 -11.034 -9.942 1.00 0.00 C ATOM 1024 O LEU A 64 69.667 -11.330 -11.136 1.00 0.00 O ATOM 1025 CB LEU A 64 71.810 -10.113 -9.217 1.00 0.00 C ATOM 1026 CG LEU A 64 72.884 -10.399 -10.273 1.00 0.00 C ATOM 1027 CD1 LEU A 64 72.955 -9.262 -11.282 1.00 0.00 C ATOM 1028 CD2 LEU A 64 74.238 -10.608 -9.610 1.00 0.00 C ATOM 0 H LEU A 64 71.897 -12.649 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 64 70.419 -11.183 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 64 71.280 -9.204 -9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 64 72.304 -9.911 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 64 72.614 -11.313 -10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 64 73.722 -9.482 -12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 64 71.990 -9.155 -11.778 1.00 0.00 H new ATOM 0 HD13 LEU A 64 73.203 -8.334 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 64 74.990 -10.810 -10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 64 74.515 -9.710 -9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 64 74.181 -11.453 -8.924 1.00 0.00 H new ATOM 1040 N LEU A 65 68.489 -10.529 -9.393 1.00 0.00 N ATOM 1041 CA LEU A 65 67.277 -10.295 -10.183 1.00 0.00 C ATOM 1042 C LEU A 65 66.578 -8.989 -9.783 1.00 0.00 C ATOM 1043 O LEU A 65 66.770 -8.476 -8.678 1.00 0.00 O ATOM 1044 CB LEU A 65 66.321 -11.521 -10.115 1.00 0.00 C ATOM 1045 CG LEU A 65 65.440 -11.732 -8.853 1.00 0.00 C ATOM 1046 CD1 LEU A 65 66.189 -11.464 -7.557 1.00 0.00 C ATOM 1047 CD2 LEU A 65 64.173 -10.895 -8.923 1.00 0.00 C ATOM 0 H LEU A 65 68.408 -10.274 -8.409 1.00 0.00 H new ATOM 0 HA LEU A 65 67.577 -10.176 -11.224 1.00 0.00 H new ATOM 0 HB2 LEU A 65 65.653 -11.463 -10.974 1.00 0.00 H new ATOM 0 HB3 LEU A 65 66.928 -12.417 -10.243 1.00 0.00 H new ATOM 0 HG LEU A 65 65.164 -12.786 -8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 65 65.522 -11.628 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 67.041 -12.139 -7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 65 66.541 -10.433 -7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 65 63.576 -11.063 -8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 65 64.437 -9.840 -8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 65 63.596 -11.181 -9.802 1.00 0.00 H new ATOM 1059 N PHE A 66 65.784 -8.445 -10.703 1.00 0.00 N ATOM 1060 CA PHE A 66 65.058 -7.199 -10.456 1.00 0.00 C ATOM 1061 C PHE A 66 63.599 -7.305 -10.911 1.00 0.00 C ATOM 1062 O PHE A 66 63.330 -7.516 -12.093 1.00 0.00 O ATOM 1063 CB PHE A 66 65.747 -6.034 -11.179 1.00 0.00 C ATOM 1064 CG PHE A 66 64.991 -4.736 -11.100 1.00 0.00 C ATOM 1065 CD1 PHE A 66 64.770 -4.121 -9.879 1.00 0.00 C ATOM 1066 CD2 PHE A 66 64.499 -4.135 -12.247 1.00 0.00 C ATOM 1067 CE1 PHE A 66 64.071 -2.932 -9.804 1.00 0.00 C ATOM 1068 CE2 PHE A 66 63.802 -2.946 -12.179 1.00 0.00 C ATOM 1069 CZ PHE A 66 63.587 -2.343 -10.956 1.00 0.00 C ATOM 0 H PHE A 66 65.626 -8.847 -11.627 1.00 0.00 H new ATOM 0 HA PHE A 66 65.066 -7.014 -9.382 1.00 0.00 H new ATOM 0 HB2 PHE A 66 66.740 -5.891 -10.753 1.00 0.00 H new ATOM 0 HB3 PHE A 66 65.885 -6.300 -12.227 1.00 0.00 H new ATOM 0 HD1 PHE A 66 65.148 -4.576 -8.976 1.00 0.00 H new ATOM 0 HD2 PHE A 66 64.663 -4.603 -13.206 1.00 0.00 H new ATOM 0 HE1 PHE A 66 63.903 -2.463 -8.846 1.00 0.00 H new ATOM 0 HE2 PHE A 66 63.425 -2.488 -13.081 1.00 0.00 H new ATOM 0 HZ PHE A 66 63.041 -1.413 -10.900 1.00 0.00 H new ATOM 1079 N GLU A 67 62.672 -7.169 -9.953 1.00 0.00 N ATOM 1080 CA GLU A 67 61.213 -7.229 -10.202 1.00 0.00 C ATOM 1081 C GLU A 67 60.783 -8.454 -11.039 1.00 0.00 C ATOM 1082 O GLU A 67 59.757 -8.423 -11.721 1.00 0.00 O ATOM 1083 CB GLU A 67 60.713 -5.912 -10.836 1.00 0.00 C ATOM 1084 CG GLU A 67 60.939 -5.783 -12.341 1.00 0.00 C ATOM 1085 CD GLU A 67 59.660 -5.491 -13.105 1.00 0.00 C ATOM 1086 OE1 GLU A 67 58.740 -4.880 -12.518 1.00 0.00 O ATOM 1087 OE2 GLU A 67 59.579 -5.869 -14.293 1.00 0.00 O ATOM 0 H GLU A 67 62.909 -7.013 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 67 60.738 -7.353 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 67 59.646 -5.814 -10.636 1.00 0.00 H new ATOM 0 HB3 GLU A 67 61.208 -5.078 -10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 67 61.659 -4.986 -12.529 1.00 0.00 H new ATOM 0 HG3 GLU A 67 61.379 -6.706 -12.718 1.00 0.00 H new ATOM 1094 N GLY A 68 61.552 -9.538 -10.959 1.00 0.00 N ATOM 1095 CA GLY A 68 61.223 -10.743 -11.709 1.00 0.00 C ATOM 1096 C GLY A 68 62.058 -10.920 -12.971 1.00 0.00 C ATOM 1097 O GLY A 68 62.065 -11.995 -13.570 1.00 0.00 O ATOM 0 H GLY A 68 62.396 -9.605 -10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 68 61.363 -11.612 -11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 68 60.168 -10.715 -11.982 1.00 0.00 H new ATOM 1101 N GLN A 69 62.766 -9.870 -13.370 1.00 0.00 N ATOM 1102 CA GLN A 69 63.602 -9.916 -14.569 1.00 0.00 C ATOM 1103 C GLN A 69 65.061 -10.228 -14.210 1.00 0.00 C ATOM 1104 O GLN A 69 65.603 -9.694 -13.238 1.00 0.00 O ATOM 1105 CB GLN A 69 63.493 -8.582 -15.332 1.00 0.00 C ATOM 1106 CG GLN A 69 64.806 -8.066 -15.909 1.00 0.00 C ATOM 1107 CD GLN A 69 64.602 -7.147 -17.098 1.00 0.00 C ATOM 1108 OE1 GLN A 69 64.490 -7.598 -18.235 1.00 0.00 O ATOM 1109 NE2 GLN A 69 64.553 -5.850 -16.844 1.00 0.00 N ATOM 0 H GLN A 69 62.779 -8.974 -12.882 1.00 0.00 H new ATOM 0 HA GLN A 69 63.245 -10.718 -15.215 1.00 0.00 H new ATOM 0 HB2 GLN A 69 62.777 -8.702 -16.145 1.00 0.00 H new ATOM 0 HB3 GLN A 69 63.087 -7.827 -14.659 1.00 0.00 H new ATOM 0 HG2 GLN A 69 65.354 -7.533 -15.133 1.00 0.00 H new ATOM 0 HG3 GLN A 69 65.423 -8.912 -16.211 1.00 0.00 H new ATOM 0 HE21 GLN A 69 64.650 -5.514 -15.886 1.00 0.00 H new ATOM 0 HE22 GLN A 69 64.418 -5.186 -17.606 1.00 0.00 H new ATOM 1118 N ARG A 70 65.683 -11.107 -14.989 1.00 0.00 N ATOM 1119 CA ARG A 70 67.077 -11.485 -14.764 1.00 0.00 C ATOM 1120 C ARG A 70 68.020 -10.511 -15.478 1.00 0.00 C ATOM 1121 O ARG A 70 67.676 -9.945 -16.518 1.00 0.00 O ATOM 1122 CB ARG A 70 67.335 -12.924 -15.234 1.00 0.00 C ATOM 1123 CG ARG A 70 67.220 -13.120 -16.740 1.00 0.00 C ATOM 1124 CD ARG A 70 68.225 -14.141 -17.246 1.00 0.00 C ATOM 1125 NE ARG A 70 68.024 -14.453 -18.660 1.00 0.00 N ATOM 1126 CZ ARG A 70 68.691 -15.393 -19.310 1.00 0.00 C ATOM 1127 NH1 ARG A 70 69.596 -16.113 -18.694 1.00 0.00 N ATOM 1128 NH2 ARG A 70 68.448 -15.612 -20.579 1.00 0.00 N ATOM 0 H ARG A 70 65.244 -11.573 -15.783 1.00 0.00 H new ATOM 0 HA ARG A 70 67.274 -11.435 -13.693 1.00 0.00 H new ATOM 0 HB2 ARG A 70 68.333 -13.225 -14.915 1.00 0.00 H new ATOM 0 HB3 ARG A 70 66.628 -13.589 -14.738 1.00 0.00 H new ATOM 0 HG2 ARG A 70 66.211 -13.447 -16.990 1.00 0.00 H new ATOM 0 HG3 ARG A 70 67.381 -12.168 -17.245 1.00 0.00 H new ATOM 0 HD2 ARG A 70 69.235 -13.759 -17.099 1.00 0.00 H new ATOM 0 HD3 ARG A 70 68.141 -15.055 -16.658 1.00 0.00 H new ATOM 0 HE ARG A 70 67.328 -13.914 -19.176 1.00 0.00 H new ATOM 0 HH11 ARG A 70 69.791 -15.951 -17.706 1.00 0.00 H new ATOM 0 HH12 ARG A 70 70.106 -16.836 -19.202 1.00 0.00 H new ATOM 0 HH21 ARG A 70 67.744 -15.058 -21.067 1.00 0.00 H new ATOM 0 HH22 ARG A 70 68.963 -16.337 -21.079 1.00 0.00 H new ATOM 1142 N ILE A 71 69.211 -10.317 -14.922 1.00 0.00 N ATOM 1143 CA ILE A 71 70.181 -9.398 -15.514 1.00 0.00 C ATOM 1144 C ILE A 71 71.456 -10.125 -15.945 1.00 0.00 C ATOM 1145 O ILE A 71 72.177 -10.688 -15.121 1.00 0.00 O ATOM 1146 CB ILE A 71 70.546 -8.251 -14.536 1.00 0.00 C ATOM 1147 CG1 ILE A 71 69.320 -7.383 -14.232 1.00 0.00 C ATOM 1148 CG2 ILE A 71 71.659 -7.387 -15.114 1.00 0.00 C ATOM 1149 CD1 ILE A 71 68.636 -7.733 -12.927 1.00 0.00 C ATOM 0 H ILE A 71 69.528 -10.779 -14.069 1.00 0.00 H new ATOM 0 HA ILE A 71 69.706 -8.971 -16.397 1.00 0.00 H new ATOM 0 HB ILE A 71 70.894 -8.702 -13.607 1.00 0.00 H new ATOM 0 HG12 ILE A 71 69.624 -6.337 -14.203 1.00 0.00 H new ATOM 0 HG13 ILE A 71 68.603 -7.484 -15.047 1.00 0.00 H new ATOM 0 HG21 ILE A 71 71.901 -6.588 -14.413 1.00 0.00 H new ATOM 0 HG22 ILE A 71 72.544 -8.000 -15.285 1.00 0.00 H new ATOM 0 HG23 ILE A 71 71.330 -6.954 -16.059 1.00 0.00 H new ATOM 0 HD11 ILE A 71 67.778 -7.078 -12.779 1.00 0.00 H new ATOM 0 HD12 ILE A 71 68.300 -8.769 -12.959 1.00 0.00 H new ATOM 0 HD13 ILE A 71 69.337 -7.604 -12.103 1.00 0.00 H new ATOM 1161 N ALA A 72 71.715 -10.118 -17.250 1.00 0.00 N ATOM 1162 CA ALA A 72 72.908 -10.757 -17.806 1.00 0.00 C ATOM 1163 C ALA A 72 74.115 -9.811 -17.774 1.00 0.00 C ATOM 1164 O ALA A 72 73.979 -8.619 -17.506 1.00 0.00 O ATOM 1165 CB ALA A 72 72.637 -11.226 -19.228 1.00 0.00 C ATOM 0 H ALA A 72 71.114 -9.676 -17.945 1.00 0.00 H new ATOM 0 HA ALA A 72 73.148 -11.622 -17.187 1.00 0.00 H new ATOM 0 HB1 ALA A 72 73.532 -11.700 -19.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 71.817 -11.944 -19.224 1.00 0.00 H new ATOM 0 HB3 ALA A 72 72.368 -10.371 -19.848 1.00 0.00 H new ATOM 1171 N ASP A 73 75.291 -10.354 -18.082 1.00 0.00 N ATOM 1172 CA ASP A 73 76.534 -9.583 -18.082 1.00 0.00 C ATOM 1173 C ASP A 73 76.596 -8.616 -19.268 1.00 0.00 C ATOM 1174 O ASP A 73 77.261 -7.582 -19.207 1.00 0.00 O ATOM 1175 CB ASP A 73 77.739 -10.530 -18.114 1.00 0.00 C ATOM 1176 CG ASP A 73 77.487 -11.825 -17.362 1.00 0.00 C ATOM 1177 OD1 ASP A 73 77.776 -11.876 -16.146 1.00 0.00 O ATOM 1178 OD2 ASP A 73 76.989 -12.783 -17.986 1.00 0.00 O ATOM 0 H ASP A 73 75.410 -11.334 -18.337 1.00 0.00 H new ATOM 0 HA ASP A 73 76.561 -8.992 -17.167 1.00 0.00 H new ATOM 0 HB2 ASP A 73 77.988 -10.759 -19.150 1.00 0.00 H new ATOM 0 HB3 ASP A 73 78.604 -10.026 -17.682 1.00 0.00 H new ATOM 1183 N ASN A 74 75.884 -8.954 -20.345 1.00 0.00 N ATOM 1184 CA ASN A 74 75.847 -8.119 -21.547 1.00 0.00 C ATOM 1185 C ASN A 74 74.827 -6.982 -21.406 1.00 0.00 C ATOM 1186 O ASN A 74 74.479 -6.321 -22.384 1.00 0.00 O ATOM 1187 CB ASN A 74 75.510 -8.968 -22.780 1.00 0.00 C ATOM 1188 CG ASN A 74 75.821 -10.441 -22.588 1.00 0.00 C ATOM 1189 OD1 ASN A 74 75.118 -11.149 -21.868 1.00 0.00 O ATOM 1190 ND2 ASN A 74 76.876 -10.915 -23.228 1.00 0.00 N ATOM 0 H ASN A 74 75.323 -9.804 -20.409 1.00 0.00 H new ATOM 0 HA ASN A 74 76.836 -7.679 -21.673 1.00 0.00 H new ATOM 0 HB2 ASN A 74 74.452 -8.853 -23.015 1.00 0.00 H new ATOM 0 HB3 ASN A 74 76.070 -8.593 -23.637 1.00 0.00 H new ATOM 0 HD21 ASN A 74 77.131 -11.898 -23.133 1.00 0.00 H new ATOM 0 HD22 ASN A 74 77.435 -10.298 -23.816 1.00 0.00 H new ATOM 1197 N HIS A 75 74.361 -6.758 -20.181 1.00 0.00 N ATOM 1198 CA HIS A 75 73.381 -5.710 -19.904 1.00 0.00 C ATOM 1199 C HIS A 75 74.025 -4.514 -19.201 1.00 0.00 C ATOM 1200 O HIS A 75 75.142 -4.603 -18.695 1.00 0.00 O ATOM 1201 CB HIS A 75 72.261 -6.267 -19.024 1.00 0.00 C ATOM 1202 CG HIS A 75 71.182 -6.975 -19.789 1.00 0.00 C ATOM 1203 ND1 HIS A 75 70.473 -8.042 -19.282 1.00 0.00 N ATOM 1204 CD2 HIS A 75 70.682 -6.756 -21.031 1.00 0.00 C ATOM 1205 CE1 HIS A 75 69.588 -8.451 -20.173 1.00 0.00 C ATOM 1206 NE2 HIS A 75 69.695 -7.686 -21.244 1.00 0.00 N ATOM 0 H HIS A 75 74.647 -7.291 -19.360 1.00 0.00 H new ATOM 0 HA HIS A 75 72.976 -5.372 -20.858 1.00 0.00 H new ATOM 0 HB2 HIS A 75 72.691 -6.957 -18.299 1.00 0.00 H new ATOM 0 HB3 HIS A 75 71.815 -5.448 -18.459 1.00 0.00 H new ATOM 0 HD2 HIS A 75 71.001 -5.992 -21.724 1.00 0.00 H new ATOM 0 HE1 HIS A 75 68.896 -9.270 -20.047 1.00 0.00 H new ATOM 0 HE2 HIS A 75 69.135 -7.772 -22.092 1.00 0.00 H new ATOM 1214 N THR A 76 73.309 -3.392 -19.192 1.00 0.00 N ATOM 1215 CA THR A 76 73.772 -2.168 -18.532 1.00 0.00 C ATOM 1216 C THR A 76 72.575 -1.380 -17.998 1.00 0.00 C ATOM 1217 O THR A 76 71.500 -1.401 -18.604 1.00 0.00 O ATOM 1218 CB THR A 76 74.610 -1.246 -19.464 1.00 0.00 C ATOM 1219 OG1 THR A 76 74.130 0.106 -19.387 1.00 0.00 O ATOM 1220 CG2 THR A 76 74.569 -1.710 -20.915 1.00 0.00 C ATOM 0 H THR A 76 72.396 -3.303 -19.639 1.00 0.00 H new ATOM 0 HA THR A 76 74.423 -2.485 -17.718 1.00 0.00 H new ATOM 0 HB THR A 76 75.643 -1.296 -19.120 1.00 0.00 H new ATOM 0 HG1 THR A 76 74.661 0.605 -18.731 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.167 -1.037 -21.529 1.00 0.00 H new ATOM 0 HG22 THR A 76 74.972 -2.720 -20.985 1.00 0.00 H new ATOM 0 HG23 THR A 76 73.538 -1.705 -21.270 1.00 0.00 H new ATOM 1228 N PRO A 77 72.733 -0.691 -16.847 1.00 0.00 N ATOM 1229 CA PRO A 77 71.653 0.108 -16.239 1.00 0.00 C ATOM 1230 C PRO A 77 71.047 1.127 -17.209 1.00 0.00 C ATOM 1231 O PRO A 77 69.833 1.341 -17.220 1.00 0.00 O ATOM 1232 CB PRO A 77 72.353 0.831 -15.087 1.00 0.00 C ATOM 1233 CG PRO A 77 73.520 -0.029 -14.748 1.00 0.00 C ATOM 1234 CD PRO A 77 73.971 -0.648 -16.041 1.00 0.00 C ATOM 0 HA PRO A 77 70.817 -0.520 -15.931 1.00 0.00 H new ATOM 0 HB2 PRO A 77 72.672 1.830 -15.383 1.00 0.00 H new ATOM 0 HB3 PRO A 77 71.687 0.949 -14.232 1.00 0.00 H new ATOM 0 HG2 PRO A 77 74.320 0.559 -14.298 1.00 0.00 H new ATOM 0 HG3 PRO A 77 73.242 -0.796 -14.025 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.745 -0.052 -16.524 1.00 0.00 H new ATOM 0 HD3 PRO A 77 74.386 -1.644 -15.887 1.00 0.00 H new ATOM 1242 N LYS A 78 71.901 1.747 -18.022 1.00 0.00 N ATOM 1243 CA LYS A 78 71.461 2.738 -19.005 1.00 0.00 C ATOM 1244 C LYS A 78 70.649 2.075 -20.125 1.00 0.00 C ATOM 1245 O LYS A 78 69.629 2.607 -20.562 1.00 0.00 O ATOM 1246 CB LYS A 78 72.680 3.476 -19.578 1.00 0.00 C ATOM 1247 CG LYS A 78 72.509 3.974 -21.009 1.00 0.00 C ATOM 1248 CD LYS A 78 73.842 4.038 -21.731 1.00 0.00 C ATOM 1249 CE LYS A 78 73.712 3.665 -23.199 1.00 0.00 C ATOM 1250 NZ LYS A 78 75.037 3.371 -23.816 1.00 0.00 N ATOM 0 H LYS A 78 72.907 1.580 -18.019 1.00 0.00 H new ATOM 0 HA LYS A 78 70.812 3.460 -18.509 1.00 0.00 H new ATOM 0 HB2 LYS A 78 72.907 4.327 -18.936 1.00 0.00 H new ATOM 0 HB3 LYS A 78 73.542 2.810 -19.540 1.00 0.00 H new ATOM 0 HG2 LYS A 78 71.832 3.312 -21.549 1.00 0.00 H new ATOM 0 HG3 LYS A 78 72.049 4.962 -21.000 1.00 0.00 H new ATOM 0 HD2 LYS A 78 74.252 5.045 -21.647 1.00 0.00 H new ATOM 0 HD3 LYS A 78 74.549 3.365 -21.247 1.00 0.00 H new ATOM 0 HE2 LYS A 78 73.065 2.794 -23.296 1.00 0.00 H new ATOM 0 HE3 LYS A 78 73.232 4.481 -23.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 74.973 2.497 -24.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 75.315 4.160 -24.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 75.749 3.250 -23.068 1.00 0.00 H new ATOM 1264 N GLU A 79 71.102 0.904 -20.572 1.00 0.00 N ATOM 1265 CA GLU A 79 70.416 0.166 -21.633 1.00 0.00 C ATOM 1266 C GLU A 79 69.066 -0.370 -21.150 1.00 0.00 C ATOM 1267 O GLU A 79 68.084 -0.356 -21.890 1.00 0.00 O ATOM 1268 CB GLU A 79 71.292 -0.989 -22.124 1.00 0.00 C ATOM 1269 CG GLU A 79 70.889 -1.531 -23.488 1.00 0.00 C ATOM 1270 CD GLU A 79 70.655 -3.031 -23.477 1.00 0.00 C ATOM 1271 OE1 GLU A 79 70.888 -3.664 -22.422 1.00 0.00 O ATOM 1272 OE2 GLU A 79 70.240 -3.575 -24.523 1.00 0.00 O ATOM 0 H GLU A 79 71.941 0.446 -20.216 1.00 0.00 H new ATOM 0 HA GLU A 79 70.233 0.854 -22.458 1.00 0.00 H new ATOM 0 HB2 GLU A 79 72.328 -0.653 -22.169 1.00 0.00 H new ATOM 0 HB3 GLU A 79 71.251 -1.799 -21.395 1.00 0.00 H new ATOM 0 HG2 GLU A 79 69.981 -1.028 -23.820 1.00 0.00 H new ATOM 0 HG3 GLU A 79 71.668 -1.294 -24.213 1.00 0.00 H new ATOM 1279 N LEU A 80 69.027 -0.853 -19.908 1.00 0.00 N ATOM 1280 CA LEU A 80 67.790 -1.376 -19.326 1.00 0.00 C ATOM 1281 C LEU A 80 66.808 -0.250 -18.967 1.00 0.00 C ATOM 1282 O LEU A 80 65.619 -0.500 -18.767 1.00 0.00 O ATOM 1283 CB LEU A 80 68.100 -2.210 -18.076 1.00 0.00 C ATOM 1284 CG LEU A 80 68.821 -3.538 -18.329 1.00 0.00 C ATOM 1285 CD1 LEU A 80 68.972 -4.321 -17.033 1.00 0.00 C ATOM 1286 CD2 LEU A 80 68.074 -4.366 -19.367 1.00 0.00 C ATOM 0 H LEU A 80 69.835 -0.893 -19.287 1.00 0.00 H new ATOM 0 HA LEU A 80 67.318 -2.008 -20.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 68.710 -1.609 -17.402 1.00 0.00 H new ATOM 0 HB3 LEU A 80 67.164 -2.418 -17.558 1.00 0.00 H new ATOM 0 HG LEU A 80 69.816 -3.317 -18.716 1.00 0.00 H new ATOM 0 HD11 LEU A 80 69.486 -5.261 -17.234 1.00 0.00 H new ATOM 0 HD12 LEU A 80 69.552 -3.735 -16.319 1.00 0.00 H new ATOM 0 HD13 LEU A 80 67.986 -4.529 -16.616 1.00 0.00 H new ATOM 0 HD21 LEU A 80 68.602 -5.305 -19.532 1.00 0.00 H new ATOM 0 HD22 LEU A 80 67.066 -4.575 -19.009 1.00 0.00 H new ATOM 0 HD23 LEU A 80 68.019 -3.811 -20.304 1.00 0.00 H new ATOM 1298 N GLY A 81 67.306 0.987 -18.882 1.00 0.00 N ATOM 1299 CA GLY A 81 66.455 2.120 -18.548 1.00 0.00 C ATOM 1300 C GLY A 81 66.077 2.156 -17.077 1.00 0.00 C ATOM 1301 O GLY A 81 64.951 2.515 -16.730 1.00 0.00 O ATOM 0 H GLY A 81 68.286 1.223 -19.039 1.00 0.00 H new ATOM 0 HA2 GLY A 81 66.969 3.045 -18.809 1.00 0.00 H new ATOM 0 HA3 GLY A 81 65.548 2.078 -19.151 1.00 0.00 H new ATOM 1305 N MET A 82 67.017 1.798 -16.209 1.00 0.00 N ATOM 1306 CA MET A 82 66.755 1.784 -14.774 1.00 0.00 C ATOM 1307 C MET A 82 67.448 2.945 -14.056 1.00 0.00 C ATOM 1308 O MET A 82 68.675 3.025 -14.012 1.00 0.00 O ATOM 1309 CB MET A 82 67.207 0.453 -14.171 1.00 0.00 C ATOM 1310 CG MET A 82 66.139 -0.627 -14.208 1.00 0.00 C ATOM 1311 SD MET A 82 66.774 -2.223 -14.758 1.00 0.00 S ATOM 1312 CE MET A 82 67.857 -2.653 -13.398 1.00 0.00 C ATOM 0 H MET A 82 67.961 1.515 -16.471 1.00 0.00 H new ATOM 0 HA MET A 82 65.680 1.902 -14.634 1.00 0.00 H new ATOM 0 HB2 MET A 82 68.087 0.100 -14.709 1.00 0.00 H new ATOM 0 HB3 MET A 82 67.510 0.617 -13.137 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.706 -0.737 -13.214 1.00 0.00 H new ATOM 0 HG3 MET A 82 65.335 -0.313 -14.873 1.00 0.00 H new ATOM 0 HE1 MET A 82 67.928 -3.738 -13.318 1.00 0.00 H new ATOM 0 HE2 MET A 82 68.848 -2.237 -13.577 1.00 0.00 H new ATOM 0 HE3 MET A 82 67.455 -2.246 -12.470 1.00 0.00 H new ATOM 1322 N GLU A 83 66.642 3.831 -13.478 1.00 0.00 N ATOM 1323 CA GLU A 83 67.153 4.984 -12.737 1.00 0.00 C ATOM 1324 C GLU A 83 66.488 5.045 -11.363 1.00 0.00 C ATOM 1325 O GLU A 83 65.271 4.882 -11.261 1.00 0.00 O ATOM 1326 CB GLU A 83 66.895 6.276 -13.519 1.00 0.00 C ATOM 1327 CG GLU A 83 67.217 7.546 -12.745 1.00 0.00 C ATOM 1328 CD GLU A 83 66.608 8.787 -13.375 1.00 0.00 C ATOM 1329 OE1 GLU A 83 65.399 8.762 -13.690 1.00 0.00 O ATOM 1330 OE2 GLU A 83 67.343 9.782 -13.553 1.00 0.00 O ATOM 0 H GLU A 83 65.624 3.773 -13.508 1.00 0.00 H new ATOM 0 HA GLU A 83 68.230 4.877 -12.604 1.00 0.00 H new ATOM 0 HB2 GLU A 83 67.489 6.260 -14.433 1.00 0.00 H new ATOM 0 HB3 GLU A 83 65.848 6.303 -13.820 1.00 0.00 H new ATOM 0 HG2 GLU A 83 66.852 7.446 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 83 68.299 7.667 -12.687 1.00 0.00 H new ATOM 1337 N GLU A 84 67.294 5.268 -10.312 1.00 0.00 N ATOM 1338 CA GLU A 84 66.802 5.325 -8.917 1.00 0.00 C ATOM 1339 C GLU A 84 66.389 3.930 -8.416 1.00 0.00 C ATOM 1340 O GLU A 84 66.828 3.485 -7.357 1.00 0.00 O ATOM 1341 CB GLU A 84 65.634 6.310 -8.775 1.00 0.00 C ATOM 1342 CG GLU A 84 66.064 7.712 -8.365 1.00 0.00 C ATOM 1343 CD GLU A 84 65.275 8.794 -9.075 1.00 0.00 C ATOM 1344 OE1 GLU A 84 65.654 9.158 -10.210 1.00 0.00 O ATOM 1345 OE2 GLU A 84 64.280 9.282 -8.498 1.00 0.00 O ATOM 0 H GLU A 84 68.300 5.414 -10.399 1.00 0.00 H new ATOM 0 HA GLU A 84 67.625 5.683 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 84 65.100 6.366 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 84 64.932 5.924 -8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 84 65.941 7.825 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU A 84 67.125 7.840 -8.580 1.00 0.00 H new ATOM 1352 N GLU A 85 65.551 3.247 -9.194 1.00 0.00 N ATOM 1353 CA GLU A 85 65.085 1.896 -8.870 1.00 0.00 C ATOM 1354 C GLU A 85 66.125 0.843 -9.276 1.00 0.00 C ATOM 1355 O GLU A 85 65.862 -0.355 -9.227 1.00 0.00 O ATOM 1356 CB GLU A 85 63.745 1.607 -9.560 1.00 0.00 C ATOM 1357 CG GLU A 85 62.754 0.861 -8.679 1.00 0.00 C ATOM 1358 CD GLU A 85 61.347 0.865 -9.247 1.00 0.00 C ATOM 1359 OE1 GLU A 85 60.580 1.799 -8.924 1.00 0.00 O ATOM 1360 OE2 GLU A 85 61.012 -0.061 -10.014 1.00 0.00 O ATOM 0 H GLU A 85 65.174 3.613 -10.068 1.00 0.00 H new ATOM 0 HA GLU A 85 64.944 1.841 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 85 63.299 2.549 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 85 63.929 1.022 -10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 85 63.088 -0.169 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 85 62.743 1.314 -7.688 1.00 0.00 H new ATOM 1367 N ASP A 86 67.304 1.315 -9.699 1.00 0.00 N ATOM 1368 CA ASP A 86 68.418 0.460 -10.141 1.00 0.00 C ATOM 1369 C ASP A 86 68.971 -0.469 -9.034 1.00 0.00 C ATOM 1370 O ASP A 86 70.063 -1.018 -9.177 1.00 0.00 O ATOM 1371 CB ASP A 86 69.547 1.347 -10.680 1.00 0.00 C ATOM 1372 CG ASP A 86 70.454 0.622 -11.659 1.00 0.00 C ATOM 1373 OD1 ASP A 86 69.949 -0.223 -12.426 1.00 0.00 O ATOM 1374 OD2 ASP A 86 71.671 0.905 -11.657 1.00 0.00 O ATOM 0 H ASP A 86 67.516 2.312 -9.745 1.00 0.00 H new ATOM 0 HA ASP A 86 68.024 -0.194 -10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 86 69.114 2.219 -11.171 1.00 0.00 H new ATOM 0 HB3 ASP A 86 70.143 1.715 -9.845 1.00 0.00 H new ATOM 1379 N VAL A 87 68.229 -0.641 -7.945 1.00 0.00 N ATOM 1380 CA VAL A 87 68.665 -1.505 -6.851 1.00 0.00 C ATOM 1381 C VAL A 87 68.349 -2.975 -7.168 1.00 0.00 C ATOM 1382 O VAL A 87 67.197 -3.346 -7.398 1.00 0.00 O ATOM 1383 CB VAL A 87 68.005 -1.095 -5.508 1.00 0.00 C ATOM 1384 CG1 VAL A 87 66.513 -0.839 -5.682 1.00 0.00 C ATOM 1385 CG2 VAL A 87 68.249 -2.146 -4.435 1.00 0.00 C ATOM 0 H VAL A 87 67.324 -0.195 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 87 69.744 -1.388 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 87 68.470 -0.164 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 87 66.079 -0.554 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 87 66.363 -0.035 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 87 66.028 -1.745 -6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 87 67.775 -1.833 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 87 67.826 -3.098 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 87 69.321 -2.261 -4.276 1.00 0.00 H new ATOM 1395 N ILE A 88 69.386 -3.809 -7.193 1.00 0.00 N ATOM 1396 CA ILE A 88 69.219 -5.230 -7.503 1.00 0.00 C ATOM 1397 C ILE A 88 69.192 -6.089 -6.239 1.00 0.00 C ATOM 1398 O ILE A 88 69.777 -5.733 -5.215 1.00 0.00 O ATOM 1399 CB ILE A 88 70.335 -5.769 -8.439 1.00 0.00 C ATOM 1400 CG1 ILE A 88 71.248 -4.636 -8.932 1.00 0.00 C ATOM 1401 CG2 ILE A 88 69.719 -6.510 -9.617 1.00 0.00 C ATOM 1402 CD1 ILE A 88 72.390 -5.110 -9.810 1.00 0.00 C ATOM 0 H ILE A 88 70.348 -3.528 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 88 68.260 -5.302 -8.016 1.00 0.00 H new ATOM 0 HB ILE A 88 70.950 -6.464 -7.867 1.00 0.00 H new ATOM 0 HG12 ILE A 88 70.649 -3.915 -9.488 1.00 0.00 H new ATOM 0 HG13 ILE A 88 71.659 -4.111 -8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 88 70.511 -6.883 -10.266 1.00 0.00 H new ATOM 0 HG22 ILE A 88 69.126 -7.347 -9.250 1.00 0.00 H new ATOM 0 HG23 ILE A 88 69.079 -5.831 -10.180 1.00 0.00 H new ATOM 0 HD11 ILE A 88 72.991 -4.255 -10.119 1.00 0.00 H new ATOM 0 HD12 ILE A 88 73.013 -5.808 -9.251 1.00 0.00 H new ATOM 0 HD13 ILE A 88 71.988 -5.609 -10.692 1.00 0.00 H new ATOM 1414 N GLU A 89 68.506 -7.228 -6.322 1.00 0.00 N ATOM 1415 CA GLU A 89 68.410 -8.150 -5.190 1.00 0.00 C ATOM 1416 C GLU A 89 69.153 -9.449 -5.498 1.00 0.00 C ATOM 1417 O GLU A 89 68.990 -10.026 -6.573 1.00 0.00 O ATOM 1418 CB GLU A 89 66.944 -8.447 -4.839 1.00 0.00 C ATOM 1419 CG GLU A 89 66.716 -8.712 -3.358 1.00 0.00 C ATOM 1420 CD GLU A 89 65.275 -8.491 -2.938 1.00 0.00 C ATOM 1421 OE1 GLU A 89 64.487 -9.460 -2.992 1.00 0.00 O ATOM 1422 OE2 GLU A 89 64.937 -7.351 -2.555 1.00 0.00 O ATOM 0 H GLU A 89 68.010 -7.534 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 89 68.875 -7.673 -4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 89 66.327 -7.604 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 89 66.610 -9.313 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.004 -9.738 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.365 -8.060 -2.773 1.00 0.00 H new ATOM 1429 N VAL A 90 69.972 -9.901 -4.554 1.00 0.00 N ATOM 1430 CA VAL A 90 70.750 -11.124 -4.744 1.00 0.00 C ATOM 1431 C VAL A 90 70.244 -12.274 -3.872 1.00 0.00 C ATOM 1432 O VAL A 90 69.975 -12.100 -2.682 1.00 0.00 O ATOM 1433 CB VAL A 90 72.251 -10.900 -4.444 1.00 0.00 C ATOM 1434 CG1 VAL A 90 73.110 -11.786 -5.330 1.00 0.00 C ATOM 1435 CG2 VAL A 90 72.632 -9.437 -4.622 1.00 0.00 C ATOM 0 H VAL A 90 70.115 -9.443 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 90 70.624 -11.393 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 90 72.431 -11.171 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 90 74.163 -11.615 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 90 72.865 -12.832 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 90 72.920 -11.548 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 90 73.692 -9.308 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 90 72.432 -9.131 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 90 72.045 -8.822 -3.940 1.00 0.00 H new ATOM 1445 N TYR A 91 70.119 -13.452 -4.478 1.00 0.00 N ATOM 1446 CA TYR A 91 69.660 -14.647 -3.769 1.00 0.00 C ATOM 1447 C TYR A 91 70.650 -15.794 -3.966 1.00 0.00 C ATOM 1448 O TYR A 91 71.114 -16.039 -5.080 1.00 0.00 O ATOM 1449 CB TYR A 91 68.267 -15.073 -4.248 1.00 0.00 C ATOM 1450 CG TYR A 91 67.142 -14.233 -3.681 1.00 0.00 C ATOM 1451 CD1 TYR A 91 66.256 -13.572 -4.522 1.00 0.00 C ATOM 1452 CD2 TYR A 91 66.967 -14.104 -2.310 1.00 0.00 C ATOM 1453 CE1 TYR A 91 65.227 -12.804 -4.011 1.00 0.00 C ATOM 1454 CE2 TYR A 91 65.940 -13.340 -1.791 1.00 0.00 C ATOM 1455 CZ TYR A 91 65.072 -12.691 -2.645 1.00 0.00 C ATOM 1456 OH TYR A 91 64.049 -11.928 -2.134 1.00 0.00 O ATOM 0 H TYR A 91 70.330 -13.606 -5.464 1.00 0.00 H new ATOM 0 HA TYR A 91 69.599 -14.404 -2.708 1.00 0.00 H new ATOM 0 HB2 TYR A 91 68.235 -15.019 -5.336 1.00 0.00 H new ATOM 0 HB3 TYR A 91 68.102 -16.115 -3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 91 66.373 -13.660 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 91 67.645 -14.609 -1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 91 64.547 -12.295 -4.678 1.00 0.00 H new ATOM 0 HE2 TYR A 91 65.817 -13.251 -0.722 1.00 0.00 H new ATOM 0 HH TYR A 91 64.279 -10.978 -2.212 1.00 0.00 H new ATOM 1466 N GLN A 92 70.969 -16.499 -2.886 1.00 0.00 N ATOM 1467 CA GLN A 92 71.918 -17.610 -2.956 1.00 0.00 C ATOM 1468 C GLN A 92 71.222 -18.930 -3.292 1.00 0.00 C ATOM 1469 O GLN A 92 70.153 -19.240 -2.764 1.00 0.00 O ATOM 1470 CB GLN A 92 72.699 -17.739 -1.644 1.00 0.00 C ATOM 1471 CG GLN A 92 71.823 -17.842 -0.402 1.00 0.00 C ATOM 1472 CD GLN A 92 72.625 -17.770 0.882 1.00 0.00 C ATOM 1473 OE1 GLN A 92 72.918 -16.690 1.386 1.00 0.00 O ATOM 1474 NE2 GLN A 92 72.993 -18.920 1.419 1.00 0.00 N ATOM 0 H GLN A 92 70.588 -16.324 -1.956 1.00 0.00 H new ATOM 0 HA GLN A 92 72.618 -17.389 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.336 -18.621 -1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 92 73.357 -16.876 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 92 71.087 -17.038 -0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 92 71.269 -18.781 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 92 72.731 -19.799 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.539 -18.929 2.281 1.00 0.00 H new ATOM 1483 N GLU A 93 71.838 -19.699 -4.184 1.00 0.00 N ATOM 1484 CA GLU A 93 71.295 -20.993 -4.595 1.00 0.00 C ATOM 1485 C GLU A 93 72.178 -22.136 -4.091 1.00 0.00 C ATOM 1486 O GLU A 93 71.671 -23.155 -3.622 1.00 0.00 O ATOM 1487 CB GLU A 93 71.173 -21.060 -6.121 1.00 0.00 C ATOM 1488 CG GLU A 93 70.121 -22.046 -6.605 1.00 0.00 C ATOM 1489 CD GLU A 93 70.309 -22.439 -8.057 1.00 0.00 C ATOM 1490 OE1 GLU A 93 69.736 -21.754 -8.936 1.00 0.00 O ATOM 1491 OE2 GLU A 93 71.027 -23.426 -8.320 1.00 0.00 O ATOM 0 H GLU A 93 72.716 -19.449 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 93 70.303 -21.100 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 93 70.931 -20.068 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 93 72.139 -21.336 -6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 93 70.155 -22.941 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 93 69.132 -21.607 -6.477 1.00 0.00 H new